Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, diphenylacetate
RN: 101657-02-7
InChIKey: VBKBEUHDALYPGT-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H28-N-O2.Br

Molecular Weight

  • 454.405
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • (alpha-(Hydroxymethyl)benzyl)trimethylammonium bromide diphenylacetate
  • FC 645/A

Systematic Names

  • (alpha-(Hydroxymethyl)benzyl)trimethylammonium bromide, diphenylacetate
  • Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, diphenylacetate

Registry Numbers

CAS Registry Number

  • 101657-02-7

System Generated Number

  • 0101657027

Molecular Formulas

Molecular Formula

  • C25-H28-N-O2.Br

Molecular Formula Fragments

  • Br
  • C25-H28-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C25H28NO2.BrH/c1-26(2,3)23(20-13-7-4-8-14-20)19-28-25(27)24(21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18,23-24H,19H2,1-3H3;1H/q+1;/p-1

InChIKey

VBKBEUHDALYPGT-UHFFFAOYSA-M

Smiles

C(c1ccccc1)(c1ccccc1)C(OC[C@@H](c1ccccc1)[N+](C)(C)C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38mg/kg (38mg/kg)   Farmaco, Edizione Scientifica. Vol. 19, Pg. 588, 1964.